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03/30/2023
Utilizing Reinforcement Learning for de novo Drug Design
Deep learning-based approaches for generating novel drug molecules with ...
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10/17/2022
Industry-Scale Orchestrated Federated Learning for Drug Discovery
To apply federated learning to drug discovery we developed a novel platf...
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07/04/2022
Autonomous Drug Design with Multi-armed Bandits
Recent developments in artificial intelligence and automation could pote...
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12/13/2021
Implications of Topological Imbalance for Representation Learning on Biomedical Knowledge Graphs
Improving on the standard of care for diseases is predicated on better t...
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08/05/2021
Parallel Capsule Networks for Classification of White Blood Cells
Capsule Networks (CapsNets) is a machine learning architecture proposed ...
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05/17/2021
Understanding the Performance of Knowledge Graph Embeddings in Drug Discovery
Knowledge Graphs (KG) and associated Knowledge Graph Embedding (KGE) mod...
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02/19/2021
A Review of Biomedical Datasets Relating to Drug Discovery: A Knowledge Graph Perspective
Drug discovery and development is an extremely complex process, with hig...
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11/21/2017
Application of generative autoencoder in de novo molecular design
A major challenge in computational chemistry is the generation of novel ...
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04/25/2017
